SCHEMBL3276955

SCHEMBL3276955

CCOC(=O)c1c(C(N)C(=O)C(C)C)c2cc(F)ccc2n1Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR3 Q99500 3/20 0.40
ELANE P08246 3/20 0.40
HK1 P19367 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
THRB P10828 1/20 0.38
F10 P00742 3/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
PPARG P37231 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3282729 0.92 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3275876 0.92 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3275966 0.86 PTGDR2 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3276972 0.83 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3280604 0.83 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3276359 0.82 KMT2A (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3275378 0.81 KMT2A (0.67) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3279484 0.81 PTGDR2 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3276957 0.81 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3282495 0.81 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 MEN1 2461/4885KMT2A 3786/4885ALDH1A1 827/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.